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100419-39-4 | 1-Propanaminium, N,N,N-trimethyl-3-(4-nitrophenoxy)-, perchlorate (1:1)
CAS No: 100419-39-4 Catalog No: AG0001Y7 MDL No:
Product Description
Catalog Number:
AG0001Y7
Chemical Name:
1-Propanaminium, N,N,N-trimethyl-3-(4-nitrophenoxy)-, perchlorate (1:1)
CAS Number:
100419-39-4
Molecular Formula:
C12H19ClN2O7
Molecular Weight:
338.7415
IUPAC Name:
trimethyl-[3-(4-nitrophenoxy)propyl]azanium;perchlorate
InChI:
InChI=1S/C12H19N2O3.ClHO4/c1-14(2,3)9-4-10-17-12-7-5-11(6-8-12)13(15)16;2-1(3,4)5/h5-8H,4,9-10H2,1-3H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
OXXMCHSOLZGXTG-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[O-][N+](=O)c1ccc(cc1)OCCC[N+](C)(C)C
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.741g/mol
Monoisotopic Mass:
338.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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